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CHEBI:180321 - 3-Methyl-2E-heptenoic acid

ChEBI IDCHEBI:180321
ChEBI Name3-Methyl-2E-heptenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O2
Net Charge0
Average Mass142.198
Monoisotopic Mass142.09938
SMILESCCCC/C(C)=C/C(=O)O
InChIInChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h6H,3-5H2,1-2H3,(H,9,10)/b7-6+
InChIKeyBBLRVFUTKVICCR-VOTSOKGWSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Methyl-2E-heptenoic acid (CHEBI:180321) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(E)-3-methylhept-2-enoic acid
Manual XrefsDatabases
LMFA01020392LIPID MAPS
13756122ChemSpider